Enzyme immobilization studied through molecular dynamic simulations

被引:18
作者
Bhattacharjee, Nicholus [1 ]
Alonso-Cotchico, Lur [1 ]
Lucas, Maria Fatima [1 ]
机构
[1] Zymvol Biomodeling SL, Barcelona, Spain
关键词
enzyme immobilization; molecular dynamics simulations; nanoparticles; self assembled monolayers; graphene; carbon nanotube; SELF-ASSEMBLED MONOLAYERS; EXTERNAL ELECTRIC-FIELDS; SITE-SPECIFIC PEGYLATION; CYTOCHROME-C ADSORPTION; MAGNETIC NANOPARTICLES; LYSOZYME ADSORPTION; CARBON NANOTUBES; PROTEIN ADSORPTION; COVALENT IMMOBILIZATION; CHARGED SURFACES;
D O I
10.3389/fbioe.2023.1200293
中图分类号
Q81 [生物工程学(生物技术)]; Q93 [微生物学];
学科分类号
071005 ; 0836 ; 090102 ; 100705 ;
摘要
In recent years, simulations have been used to great advantage to understand the structural and dynamic aspects of distinct enzyme immobilization strategies, as experimental techniques have limitations in establishing their impact at the molecular level. In this review, we discuss how molecular dynamic simulations have been employed to characterize the surface phenomenon in the enzyme immobilization procedure, in an attempt to decipher its impact on the enzyme features, such as activity and stability. In particular, computational studies on the immobilization of enzymes using i) nanoparticles, ii) self-assembled monolayers, iii) graphene and carbon nanotubes, and iv) other surfaces are covered. Importantly, this thorough literature survey reveals that, while simulations have been primarily performed to rationalize the molecular aspects of the immobilization event, their use to predict adequate protocols that can control its impact on the enzyme properties is, up to date, mostly missing.
引用
收藏
页数:15
相关论文
共 160 条
[1]   Biocatalysis explained: from pharmaceutical to bulk chemical production [J].
Abdelraheem, Eman M. M. ;
Busch, Hanna ;
Hanefeld, Ulf ;
Tonin, Fabio .
REACTION CHEMISTRY & ENGINEERING, 2019, 4 (11) :1878-1894
[2]   Immobilization of Glucose Oxidase on Fe3O4 Magnetic Nanoparticles and its Application in the Removal of Acid Yellow 12 [J].
Aber, Soheil ;
Mahmoudikia, Ehsan ;
Karimi, Afzal ;
Mahdizadeh, Fatemeh .
WATER AIR AND SOIL POLLUTION, 2016, 227 (03)
[3]   Biocatalysis: A Pharma Perspective [J].
Adams, Joseph P. ;
Brown, Murray J. B. ;
Diaz-Rodriguez, Alba ;
Lloyd, Richard C. ;
Roiban, Gheorghe-Doru .
ADVANCED SYNTHESIS & CATALYSIS, 2019, 361 (11) :2421-2432
[4]   Current prospective in using cold-active enzymes as eco-friendly detergent additive [J].
Al-Ghanayem, Abdullah A. ;
Joseph, Babu .
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 2020, 104 (07) :2871-2882
[5]   Biocatalysis applied to the synthesis of agrochemicals [J].
Aleu, J. ;
Bustillo, A. J. ;
Hernandez-Galan, R. ;
Collado, I. G. .
CURRENT ORGANIC CHEMISTRY, 2006, 10 (16) :2037-2054
[6]   A review on enzymatic synthesis of aromatic esters used as flavor ingredients for food, cosmetics and pharmaceuticals industries [J].
Amanda Gomes Almeida, S. A. ;
de Meneses, Alessandra Cristina ;
Hermes de Araujo, Pedro Henrique ;
de Oliveira, Debora .
TRENDS IN FOOD SCIENCE & TECHNOLOGY, 2017, 69 :95-105
[7]   How a crosslinker agent interacts with the β-glucosidase enzyme surface in an aqueous solution: Insight from quantum mechanics calculations and molecular dynamics simulations [J].
Araghi, Samira Hozhabr ;
John, Amalraj ;
Googheri, Mohammad Sadegh Sadeghi .
COLLOIDS AND SURFACES B-BIOINTERFACES, 2021, 203
[8]   Improvement of the stability and activity of immobilized trypsin on modified Fe3O4 magnetic nanoparticles for hydrolysis of bovine serum albumin and its application in the bovine milk [J].
Atacan, Keziban ;
Cakiroglu, Bekir ;
Ozacar, Mahmut .
FOOD CHEMISTRY, 2016, 212 :460-468
[9]   Enzyme immobilization and molecular modeling studies on an organic-inorganic polypyrrole-titanium(IV)phosphate nanocomposite [J].
Baig, Umair ;
Gondal, Mohammed Ashraf ;
Alam, Md Fazle ;
Laskar, Amaj Ahmed ;
Alam, Mahboob ;
Younus, Hina .
NEW JOURNAL OF CHEMISTRY, 2015, 39 (09) :6976-6986
[10]   Antifouling Coatings: Recent Developments in the Design of Surfaces That Prevent Fouling by Proteins, Bacteria, and Marine Organisms [J].
Banerjee, Indrani ;
Pangule, Ravindra C. ;
Kane, Ravi S. .
ADVANCED MATERIALS, 2011, 23 (06) :690-718